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ENAMINE-ZINC03525262

 MMsINC code: MMs01491293
Type: Neutral
Formula: C20H24N2O5S2
SMILES:   s1cccc1S(=O)(=O)N1CCC(CC1)C(OCC(=O)N(Cc1ccccc1)C)=O
InChI:   InChI=1/C20H24N2O5S2/c1-21(14-16-6-3-2-4-7-16)18(23)15-27-20(24)17-9-11-22(12-10-17)29(25,26)19-8-5-13-28-19/h2-8,13,17H,9-12,14-15H2,1H3

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Potential Energy
Epot(MMFF94)=60.0076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.553 g/mol  logS: -3.81496  SlogP: 2.617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385682  Sterimol/B1: 2.40519  Sterimol/B2: 3.99341  Sterimol/B3: 3.99834
  Sterimol/B4: 7.75644  Sterimol/L: 20.9381 
 
 Surface and Volume Properties
  Accessible surface: 707.139  Positive charged surface: 421.935  Negative charged surface: 285.204  Volume: 389.375
  Hydrophobic surface: 584.965  Hydrophilic surface: 122.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.